(2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid

C7H14N2O6S — CID 107823930

IUPAC(2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid
SMILESCNS(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C7H14N2O6S/c1-8-16(13,14)9-5(7(11)12)3-4-6(10)15-2/h5,8-9H,3-4H2,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyFMGXFHULJKCRLS-YFKPBYRVSA-N
MW254.26 g/mol
LogP-1.55
Rot. Bonds7

About (2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid

(2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid (PubChem CID 107823930) has the molecular formula C7H14N2O6S and a molecular weight of 254.26 g/mol. Its IUPAC name is (2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid
PubChem CID107823930
Molecular FormulaC7H14N2O6S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name(2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid
SMILESCNS(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C7H14N2O6S/c1-8-16(13,14)9-5(7(11)12)3-4-6(10)15-2/h5,8-9H,3-4H2,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyFMGXFHULJKCRLS-YFKPBYRVSA-N
XLogP-1.55
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid (CID 107823930) is (2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid is CNS(=O)(=O)N[C@@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid?
The InChIKey is FMGXFHULJKCRLS-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O6S/c1-8-16(13,14)9-5(7(11)12)3-4-6(10)15-2/h5,8-9H,3-4H2,1-2H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid?
(2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid has a molecular weight of 254.26 g/mol, XLogP of -1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-(methylsulfamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107823930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).